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Effective Doping in Cubic Si3N4 and Ge3N4: A First-Principles Study

✍ Scribed by Fumiyasu Oba; Kazuyoshi Tatsumi; Isao Tanaka; Hirohiko Adachi


Book ID
110828836
Publisher
John Wiley and Sons
Year
2004
Tongue
English
Weight
70 KB
Volume
85
Category
Article
ISSN
0002-7820

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First-principles lattice dynamics calcul
✍ Atsushi Togo; Peter Kroll πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 230 KB

## Abstract The phase boundary between β‐Si~3~N~4~ and γ‐Si~3~N~4~ is investigated at high pressure and high temperature using first‐principles lattice dynamics calculations within the quasi‐harmonic approximation. We find a positive slope of the phase boundary, hence, at higher temperatures it req